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Browsing by Author FRANCOIS, Jean-Pierre

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TitleTypeIssue Date
1st principles computation of thermochemical properties beyond the harmonic approximation .1. Method and application to the water molecule and its isotopomers
JOURNAL OF CHEMICAL PHYSICS, 96(10). p. 7633-7645
Journal Contribution1992
Ab initio and density functional theory calculation of the structure and vibrational properties of n-vertex closo-carboranes, n=5, 6 and 7
CHEMICAL PHYSICS, 271(1-2). p. 17-30
Journal Contribution2001
Abinitio spectroscopy and thermochemistry of the bn molecule
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 21(1). p. 47-55
Journal Contribution1991
Ab initio study of the c3+ cation using multireference methods
JOURNAL OF PHYSICAL CHEMISTRY, 95(17). p. 6530-6534
Journal Contribution1991
Ab initio study of the electronic spectrum of the SiN radical
JOURNAL OF MOLECULAR SPECTROSCOPY, 188(1). p. 27-36
Journal Contribution1998
Ab initio study of the electronic spectrum of the SiO+ cation
JOURNAL OF MOLECULAR SPECTROSCOPY, 197(1). p. 12-18
Journal Contribution1999
Ab initio study of the lowest 3Σ-, 3Π and 1Σ+ states of the SiN+ cation
CHEMICAL PHYSICS LETTERS, 300(1-2). p. 69-79
Journal Contribution1999
Ab-initio study of the spectroscopy and thermochemistry of the c2n and cn2 molecules
CHEMICAL PHYSICS LETTERS, 226(5-6). p. 475-483
Journal Contribution1994
Ab-initio study of the spectroscopy, kinetics, and thermochemistry of the bn2 molecule
CHEMICAL PHYSICS LETTERS, 222(5). p. 517-523
Journal Contribution1994
Abinitio study of the structure, infrared-spectra, and heat of formation of c4
JOURNAL OF CHEMICAL PHYSICS, 94(5). p. 3753-3761
Journal Contribution1991
Ab initio study of the X-2 Sigma(+) and A(2)Pi states of the SiO+ cation including the effect of core correlation
CHEMICAL PHYSICS, 234(1-3). p. 59-68
Journal Contribution1998
Ab initio study of the X2Σ+ and A 2Π states of the SiN radical
Chemical physics letters, 252(5-6). p. 398-404
Journal Contribution1996
Ab initio study of the X2Σ+ and A2Π states of the SiO+ cation including the effect of core correlation.
Chemical physics, 234. p. 59-68
Journal Contribution1998
Accurate ab initio quartic force fields and thermochemistry of FNO and CINO
The journal of physical chemistry, 98(44). p. 11394-11400
Journal Contribution1994
Accurate ab-initio quartic force-fields for the sulfur-compounds h2s, cs2, ocs, and cs
JOURNAL OF MOLECULAR SPECTROSCOPY, 169(2). p. 445-457
Journal Contribution1995
A critical comparison of mindo/3, mndo, am1, and pm3 for a model problem - carbon clusters c2-c10. An ad hoc reparametrization of mndo well suited for the accurate prediction of their spectroscopic constants
JOURNAL OF COMPUTATIONAL CHEMISTRY, 12(1). p. 52-70
Journal Contribution1991
AM1 COMPUTED VIBRATIONS IN 2 C60O STRUCTURES
SPECTROSCOPY LETTERS, 26(9). p. 1785-1796
Journal Contribution1993
Analysis of IR spectra of carbon clusters trapped in noble gas matrices using algorithms based on digital filtering techniques
FRESENIUS JOURNAL OF ANALYTICAL CHEMISTRY, 355(5-6). p. 726-729
Journal Contribution1996
An internally contracted multireference configuration interaction analysis of the SiO+ B2Sigma+-X2Sigma+ transition moment
Chemical physics letters, 282. p. 29-38
Journal Contribution1998
An internally contracted multireference configuration interaction analysis of the SiO+ B2∑+-X2 ∑+ transition moment
CHEMICAL PHYSICS LETTERS, 282(1). p. 29-38
Journal Contribution1998
Showing results 1 to 20 of 90